2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide

C23H23N7O4 — CID 42920903

IUPAC2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)NC(C)(c3cccc(-n4cnnn4)c3)C2=O)cc1
InChIInChI=1S/C23H23N7O4/c1-14(2)20(32)25-17-9-7-15(8-10-17)19(31)12-29-21(33)23(3,26-22(29)34)16-5-4-6-18(11-16)30-13-24-27-28-30/h4-11,13-14H,12H2,1-3H3,(H,25,32)(H,26,34)
InChIKeyPZHCFCMVPRUTII-UHFFFAOYSA-N
MW461.48 g/mol
LogP1.91
Rot. Bonds7

About 2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide

2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide (PubChem CID 42920903) has the molecular formula C23H23N7O4 and a molecular weight of 461.48 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide
PubChem CID42920903
Molecular FormulaC23H23N7O4
Molecular Weight461.48 g/mol
Exact Mass461.18
IUPAC Name2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)NC(C)(c3cccc(-n4cnnn4)c3)C2=O)cc1
InChIInChI=1S/C23H23N7O4/c1-14(2)20(32)25-17-9-7-15(8-10-17)19(31)12-29-21(33)23(3,26-22(29)34)16-5-4-6-18(11-16)30-13-24-27-28-30/h4-11,13-14H,12H2,1-3H3,(H,25,32)(H,26,34)
InChIKeyPZHCFCMVPRUTII-UHFFFAOYSA-N
XLogP1.91
TPSA139.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]-2-methylpropanamide
CID 42918429
(5R)-3-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41196473
(5S)-3-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41048098
(5S)-5-methyl-3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40794707
(5S)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41320331
(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41320332
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide
CID 41045837
3-methyl-N-[4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]butanamide
CID 7171116
(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41132317
(5S)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40855979
N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide
CID 41272661
(5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41196469

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide (CID 42920903) is 2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)NC(C)(c3cccc(-n4cnnn4)c3)C2=O)cc1.
What is the InChIKey of 2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide?
The InChIKey is PZHCFCMVPRUTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O4/c1-14(2)20(32)25-17-9-7-15(8-10-17)19(31)12-29-21(33)23(3,26-22(29)34)16-5-4-6-18(11-16)30-13-24-27-28-30/h4-11,13-14H,12H2,1-3H3,(H,25,32)(H,26,34).
What are the key properties of 2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide?
2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide has a molecular weight of 461.48 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide is sourced from PubChem (CID 42920903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).